▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbAu(SeO4)2 | ICSD | 413989 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.5782 | 1.584 | 0.000 | (0;000) | ✗ | 05/01/17 |
KC8 | ICSD | 70020 | Fddd (70) | ✔ | 18 | 82 | 2 | 0.0 | 0.000 | 0.815 | (1;111) | ✗ | 02/02/17 |
Li2H2Pd | ICSD | 108534 | I4/mmm (139) | ✔ | 5 | 26 | 2 | 0.0 | 0.020 | 0.279 | (0;111) | ✗ | 27/01/17 |
RbTeAu | COD | 1510282 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.008 | 0.015 | (0;000) | ✗ | 05/01/17 |
AuSe | COD | 1510294 | C2/m (12) | ✔ | 4 | 34 | 2 | 0.0 | 0.719 | 0.042 | (0;000) | ✗ | 05/01/17 |
AuSe | COD | 1510297 | C2/m (12) | ✔ | 8 | 68 | 2 | 0.0 | 0.580 | 0.173 | (0;000) | ✗ | 05/01/17 |
Mg2H2O3 | COD | 1531167 | P-3m1 (164) | ✔ | 7 | 40 | 2 | 3.6787 | 3.679 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2H2Pd | ICSD | 68071 | I4/mmm (139) | ✔ | 5 | 38 | 2 | 0.0 | 0.385 | 0.251 | (0;000) | ✗ | 27/01/17 |
CaIrO3 | ICSD | 159030 | Cmc2_1 (36) | ✗ | 10 | 90 | 2 | 0.0 | 0.000 | 0.405 | (1;001) | ✔ | 05/12/16 |
Mg4H2O5 | COD | 1531161 | P-3m1 (164) | ✔ | 11 | 72 | 2 | 3.8834 | 3.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg5(HO3)2 | COD | 1531159 | P-3m1 (164) | ✔ | 13 | 88 | 2 | 3.9109 | 3.911 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaIrO3 | ICSD | 159032 | Cmc2_1 (36) | ✗ | 10 | 74 | 2 | 0.0 | 0.000 | 0.318 | ? | ✗ | 06/10/16 |
CaIrO3 | ICSD | 159031 | Cmc2_1 (36) | ✗ | 10 | 74 | 2 | 0.0 | 0.000 | 0.393 | ? | ✗ | 06/10/16 |
Ba2Cd(BO3)2 | ICSD | 180954 | C2/m (12) | ✔ | 11 | 74 | 2 | 3.3341 | 3.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(BIr)2 | COD | 7209455 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.001 | 0.558 | (1;001) | ✗ | 05/01/17 |
Mg(HO)2 | COD | 9003876 | P-3 (147) | ✔ | 15 | 72 | 2 | 5.0415 | 5.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(HO)2 | COD | 9006332 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 5.6084 | 5.608 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTi(BO3)2 | ICSD | 97972 | R-3 (148) | ✔ | 10 | 64 | 2 | 2.6064 | 2.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(BRh)2 | COD | 7209430 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.016 | 0.233 | (0;111) | ✗ | 05/01/17 |
TlF | ICSD | 90992 | Pmab (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaSn(BO3)2 | COD | 9009324 | R-3 (148) | ✔ | 10 | 66 | 2 | 4.1999 | 4.540 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ni(HO)2 | ICSD | 28101 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.031 | 0.501 | (0;000) | ✗ | 27/01/17 |
FeSe | ICSD | 182545 | Cmme (67) | ✔ | 4 | 28 | 2 | 0.0 | 0.020 | 0.084 | (0;000) | ✗ | 06/10/16 |
SrSn(BO3)2 | ICSD | 28267 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.234 | 2.378 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrCl | ICSD | 868 | C2/m (12) | ✔ | 4 | 38 | 2 | 0.0 | 0.064 | 0.228 | (0;111) | ✔ | 04/10/16 |
GeS | ICSD | 637785 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.8942 | 1.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
K(BH)3 | ICSD | 65507 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.9336 | 4.934 | 0.000 | (0;000) | ✗ | 05/01/17 |
VH2O3 | ICSD | 16727 | C2/c (15) | ✔ | 12 | 66 | 2 | 0.0 | 0.000 | 0.336 | (1;101) | ✗ | 27/01/17 |
SiH | ICSD | 41478 | P-3m1 (164) | ✔ | 4 | 10 | 2 | 2.0532 | 2.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoPS3 | ICSD | 624616 | C2/m (12) | ✔ | 10 | 80 | 2 | 0.0 | 0.006 | 0.364 | (0;000) | ✗ | 27/01/17 |
Ba2CuBrO2 | COD | 2002478 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3456 | 2.346 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2CaCu2HgO6 | ICSD | 75729 | P4/mmm (123) | ✔ | 12 | 100 | 2 | 0.0 | 0.003 | 0.988 | (1;110) | ✗ | 05/01/17 |
NbSe2 | ICSD | 16304 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (0;100) | ✔ | 06/10/16 |
Ba2CuClO2 | COD | 2002176 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3733 | 2.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2YTlCu2O7 | ICSD | 74163 | P4/mmm (123) | ✔ | 13 | 108 | 2 | 0.0 | 0.009 | 0.963 | (0;110) | ✗ | 05/01/17 |
KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2TlCuO5 | ICSD | 66583 | P4/mmm (123) | ✔ | 9 | 74 | 2 | 0.0 | 0.003 | 0.491 | (1;110) | ✗ | 05/01/17 |
TeRhCl | ICSD | 405714 | Cm (8) | ✗ | 6 | 60 | 2 | 0.7234 | 0.728 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2HfS4 | ICSD | 80652 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 0.8433 | 0.897 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Hg | ICSD | 30084 | I4/mmm (139) | ✔ | 3 | 32 | 2 | 0.0 | 0.044 | 0.609 | (0;111) | ✗ | 05/01/17 |
Li2Cu2TeO6 | ICSD | 189655 | C2/m (12) | ✔ | 11 | 70 | 2 | 0.0428 | 0.107 | 0.000 | (0;000) | ✗ | 27/01/17 |
ReNCl4 | ICSD | 419181 | I4 (79) | ✗ | 6 | 48 | 2 | 1.0756 | 1.276 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Ni3 | ICSD | 423734 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.000 | 0.618 | (1;001) | ✗ | 05/01/17 |
Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrPS4 | ICSD | 937 | C2 (5) | ✗ | 12 | 86 | 2 | 0.0 | 0.006 | 0.359 | (0;100) | ✔ | 05/12/16 |
CrSiTe3 | ICSD | 62379 | R3 (146) | ✗ | 10 | 72 | 2 | 0.0 | 0.017 | 0.103 | (1;111) | ✔ | 06/10/16 |
Ba2ZrS4 | ICSD | 69853 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 0.3275 | 0.328 | 0.000 | (0;000) | ✗ | 05/01/17 |
GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg3H4O5 | COD | 1531171 | P-3m1 (164) | ✔ | 12 | 64 | 2 | 3.7053 | 3.705 | 0.000 | (0;000) | ✗ | 27/01/17 |